2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 52
Total Number of Articles : 85
PubChem 4369443
Molecular Formula

C22H18FN3O5

SMILES

CCOCN1C(=C(C(=O)O1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)OC4=CC=CC=C4O

InChI

InChI=1S/C22H18FN3O5/c1-2-29-13-26-20(19(21(28)31-26)14-7-9-15(23)10-8-14)16-11-12-24-22(25-16)30-18-6-4-3-5-17(18)27/h3-12,27H,2,13H2,1H3

synonyms
  • 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE
  • CHEMBL371491
  • 1yw2
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Properties
Property Value
MW 423.4 g/mol
HBD 1
HBA 9
Rotatable Bond Count 7
Exact Mass 423.12304885 g/mol
Monoisotopic Mass 423.12304885 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 655
xlogp 4
Topological Polar Surface Area 94